4-[2-(hexanoylamino)-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid

Systemtic Name: 4-[2-(hexanoylamino)-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid Openeye Name: 4-[2-(hexanoylamino)-4-(1-piperidylsulfonyl)phenoxy]benzoic acid CAS Name: 4-[2-(1-oxohexylamino)-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid IUPAC Name: 4-[2-(hexanoylamino)-4-piperidin-1-ylsulfonylphenoxy]benzoic acid Traditional Name: 4-[2-(caproylamino)-4-piperidinosulfonyl-phenoxy]benzoic acid Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H30N2O6S/c1-2-3-5-8-23(27)25-21-17-20(33(30,31)26-15-6-4-7-16-26)13-14-22(21)32-19-11-9-18(10-12-19)24(28)29/h9-14,17H,2-8,15-16H2,1H3,(H,25,27)(H,28,29)